SCHEMBL29184151

SCHEMBL29184151

CCN(C(=O)C(C)(C)Br)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TSHR P16473 2/20 0.63
GLA P06280 1/20 0.63
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17333657 0.87 MEN1 (0.76) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11379 0.84 ALDH1A1 (0.61) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL29184047 0.82 SMN1; SMN2 (0.56) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL31211562 0.81 ALDH1A1 (0.63) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11529 0.81 ALDH1A1 (0.58) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL4560917 0.80 ALDH1A1 (0.56) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL9614332 0.79 ALDH1A1 (0.59) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL27787154 0.78 ALDH1A1 (0.54) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL380050 0.78 ALDH1A1 (0.76) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL263716 0.78 ALDH1A1 (1.00) ALDH1A1TSHRGLAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567350-A Preparation method of indolone compound 暨南大学 2024-02-20 CN disclosed